(2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide

C17H22N4O — CID 119293122

IUPAC(2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide
SMILESCn1ncc2c1CCCC2NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H22N4O/c1-21-16-9-5-8-15(13(16)11-19-21)20-17(22)14(18)10-12-6-3-2-4-7-12/h2-4,6-7,11,14-15H,5,8-10,18H2,1H3,(H,20,22)/t14-,15?/m0/s1
InChIKeySYBTWKDYYHYISN-MLCCFXAWSA-N
MW298.39 g/mol
LogP1.48
Rot. Bonds4

About (2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide

(2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide (PubChem CID 119293122) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide
PubChem CID119293122
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide
SMILESCn1ncc2c1CCCC2NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H22N4O/c1-21-16-9-5-8-15(13(16)11-19-21)20-17(22)14(18)10-12-6-3-2-4-7-12/h2-4,6-7,11,14-15H,5,8-10,18H2,1H3,(H,20,22)/t14-,15?/m0/s1
InChIKeySYBTWKDYYHYISN-MLCCFXAWSA-N
XLogP1.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088
(2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 119956668
(2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide
CID 97258746
(2R)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide;hydrochloride
CID 119293132
3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 62669622
1-(1-benzylpiperidin-4-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 42956437
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 47221339
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 61213666
ethyl 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-3-phenylpropanoate
CID 48565791
2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 56731318
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide (CID 119293122) is (2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide is Cn1ncc2c1CCCC2NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide?
The InChIKey is SYBTWKDYYHYISN-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H22N4O/c1-21-16-9-5-8-15(13(16)11-19-21)20-17(22)14(18)10-12-6-3-2-4-7-12/h2-4,6-7,11,14-15H,5,8-10,18H2,1H3,(H,20,22)/t14-,15?/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide?
(2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 119293122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).